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- ChemComp-FHC: 2-FLUORO-3-(4-HYDROXYPHENYL)-2E-PROPENEOATE -

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Basic information

EntryDatabase: PDB chemical components / ID: FHC
NameName: 2-fluoro-3-(4-hydroxyphenyl)-2E-propeneoate / Synonyms: (E)-2-FLUORO-P-HYDROXYCINNAMATE

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Chemical information

Composition
Formula: C9H6FO3 / Number of atoms: 19 / Formula weight: 181.141 / Formal charge: -1
Others

1mfi

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FHC / Model coordinates PDB-ID: 1MFI
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04[O-]C(=O)C(/F)=C\c1ccc(O)cc1
CACTVS 3.341Oc1ccc(cc1)C=C(F)C([O-])=O
OpenEye OEToolkits 1.5.0c1cc(ccc1C=C(C(=O)[O-])F)O

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SMILES CANONICAL

CACTVS 3.341Oc1ccc(cc1)\C=C(F)/C([O-])=O
OpenEye OEToolkits 1.5.0c1cc(ccc1\C=C(/C(=O)[O-])\F)O

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InChI

InChI 1.03InChI=1S/C9H7FO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-5,11H,(H,12,13)/p-1/b8-5+

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InChIKey

InChI 1.03SBIZDOWXYPNTOJ-VMPITWQZSA-M

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SYSTEMATIC NAME

ACDLabs 10.04(2E)-2-fluoro-3-(4-hydroxyphenyl)prop-2-enoate
OpenEye OEToolkits 1.5.0(E)-2-fluoro-3-(4-hydroxyphenyl)prop-2-enoate

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PDB entries

Showing all 3 items

PDB-1gyy:
The Crystal Structure of YdcE, a 4-Oxalocrotonate Tautomerase Homologue from Escherichia coli, Confirms the Structural Basis for Oligomer Diversity

PDB-1mfi:
CRYSTAL STRUCTURE OF MACROPHAGE MIGRATION INHIBITORY FACTOR COMPLEXED WITH (E)-2-FLUORO-P-HYDROXYCINNAMATE

PDB-2opa:
YwhB binary complex with 2-Fluoro-p-hydroxycinnamate

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